Geometry & MOs

Info

ID:	240644
PubChem CID:	93616932
Reduced:	N2O5C17H24 (1)
Stoich.:	A2B5C17D24 (1)
Weight, g/mol:	267.092915
ΔH_f, kcal/mol:	-187.31
Dipole, Da:	1.05
IP(EA), eV:	-8.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylsulfonylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)N(C)C)NC(=O)C1=CC2=C(C(=C1)OC)OCCO2

DOS

IR

Vibrations